Sugi Predict

Sugi Predict / Compounds / SCHEMBL4677934

SCHEMBL4677934

SCHEMBL4677934

Cc1ccc(Cc2cc(CC(=O)C(=O)c3nc[nH]n3)cs2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MAPT P10636 5/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4673531 0.91 LTA4H (0.32) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4673106 0.89 SLC5A2 (0.40) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4671048 0.89 TSHR (0.40) KMT2ALTB4RLMNAALDH1A1PARP1
SCHEMBL4674094 0.89 LTB4R (0.33) LTB4R
SCHEMBL4678517 0.89 ABL1 (0.33) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4673826 0.89 LTB4R (0.44) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4670909 0.88 LTB4R (0.34) POLBLTB4RCYP1A2CYP3A4CYP2D6
SCHEMBL5899414 0.83 MEN1 (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4676677 0.82 PTGER4 (0.34) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4678122 0.82 HCAR2 (0.38) RAB9APOLBLTB4RLMNATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 — — EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 — — US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 — — US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 — — US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 MEN1 4663/4885KMT2A 597/4885MAPT 205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.